Theoretica Chimica Acta
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Theoretica Chimica Acta
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Author :
language : de
Publisher:
Release Date : 1997
Theoretica Chimica Acta written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Chemistry categories.
Perspectives On Theoretical Chemistry
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Author : Christopher J. Cramer
language : en
Publisher: Springer
Release Date : 2014-04-13
Perspectives On Theoretical Chemistry written by Christopher J. Cramer and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-04-13 with Science categories.
On the occasion of the 50th anniversary of the journal Theoretical Chemistry Accounts, leading researchers in theoretical chemistry present current and forward-looking perspectives on major developments in the field. Originally published in the journal, these outstanding contributions are now available in a hardcover print format. This collection will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. With contributions from Christopher J. Cramer, Gino A. DiLabio, Filipp Furche, Sophya Garashchuk, Peter M.W. Gill, Hua Guo, So Hirata, Brian K. Kendrick, Hans Lischka, Wenjian Liu, Fernando R. Ornellas, Irina Paci, Kirk A. Peterson, Markus Reiher, Jeffrey R. Reimers, Manuel Smeu, Seiichiro Ten-no, Diego Troya, Donald G. Truhlar, Christoph van Wüllen, Dong H. Zhang
Theoretical Treatment Of Large Molecules And Their Interactions
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-07
Theoretical Treatment Of Large Molecules And Their Interactions written by Zvonimir B. Maksic and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-07 with Science categories.
The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type of instability. It is capable of yielding precious information on the nature of the transition states, reaction paths etc. Additionally, computational chemistry gives some details of the electronic and geometric structure of molecules which remain hidden in experimental examinations. Hence, it follows that powerful numerical techniques have substantially enlarged the domain of classical chemistry. On the other hand, interpretive quantum chemistry has provided a conceptual framework which enabled rationalization and understanding of the precise data offered either by experiment or theory. It is modelling which gives a penetrating insight into the chemical phenomena and provides order in raw experimental results which would otherwise represent just a large catalogue of unrelated facts.
Analytical Chemistry
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Author : Klaus Danzer
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-02-03
Analytical Chemistry written by Klaus Danzer and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-02-03 with Science categories.
Fundamentals of Analytical Chemistry are usually presented as a sum of chemical and physical foundations, laws, axioms and equations for analytical methods and procedures. In contrast, this book delivers a practice-oriented, general guiding theory valid for all methods and techniques. The metrological foundations included define strictly the figures of merit in order to minimize confusions still appearing in Analytical Chemistry publications today.
Theoretical Chemistry Volume 3
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Author : Richard Newland Dixon
language : en
Publisher: Royal Society of Chemistry
Release Date : 1974
Theoretical Chemistry Volume 3 written by Richard Newland Dixon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 1974 with Chemistry, Physical and theoretical categories.
This product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity.
Theoretical Chemistry
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Author : R N Dixon
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Theoretical Chemistry written by R N Dixon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-31 with Science categories.
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 90 years The Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Fullerene Research 1985 1993
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Author : Tibor Braun
language : en
Publisher: World Scientific
Release Date : 1995
Fullerene Research 1985 1993 written by Tibor Braun and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
This volume contains very carefully compiled material presenting bibliographic descriptions of approximately 3500 papers, with a computer-generated index on authors, subject headings, corporate addresses and journals. There are many on-line services available on fullerenes, but they serve mainly current-awareness functions; none of them is selectively complete and carefully indexed and none can replace a complete retrospective bibliography, which most researchers in the field would want to have on hand in their laboratories and offices.
Theoretical Aspects Of Homogeneous Catalysis
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Author : Piet W.N.M. van Leeuwen
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Theoretical Aspects Of Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
This publication is the first to present the quantitative application of quantum chemistry to organometallic reactions. Great progress has been made in recent years in the calculation of transition states of organometallic conversions in both homo and heterogeneous catalysis. This volume, which contains seven contributions by leading scientists, deals with key reactions of homogeneous catalysis including oxidative addition, migratory insertions, 2+2 additions, the Wacker reaction, and epoxidation. The book provides experimental chemists with an up-to-date overview of the state of the art in this field, and will stimulate an adjustment of views previously based on semiempirical calculations. For researchers and advanced graduate students whose work involves organometallics and catalysis.
Theoretical Chemistry
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Author : R N Dixon
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Theoretical Chemistry written by R N Dixon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-31 with Science categories.
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 90 years The Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Pattern Recognition In Chemistry
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Author : Kurt Varmuza
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Pattern Recognition In Chemistry written by Kurt Varmuza and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Analytical chemistry of the recent years is strongly influenced by automation. Data acquisition from analytica~ instruments - and some times also controlling of instruments - by a computer are principally solved since many years. Availability of microcomputers made these tasks also feasible from the economic point of view. Besides these basic applications of computers in chemical measurements scientists developed computer programs for solving more sophisticated problems for which some kind of "intelligence" is usually supposed to be necessary. Harm less numerical experiments on this topic led to passionate discussions about the theme "which jobs cannot be done by a computer but only by human brain ?~. If this question is useful at all it should not be ans wered a priori. Application of computers in chemistry is a matter of utility, sometimes it is a social problem, but it is never a question of piety for the human brain. Automated instruments and the necessity to work on complex pro blems enhanced the development of automatic methods for the reduction and interpretation of large data sets. Numerous methods from mathematics, statistics, information theory, and computer science have been exten sively investigated for the elucidation of chemical information; a new discipline "chemometrics" has been established. Three different approaches have been used for computer-assisted interpretations of chemical data. 1. Heuristic methods try to formu late computer programs working in a similar way as a chemist would solve the problem. 2.